 | | F9K | | Name: | (1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE | | Formula: | C42 H51 F2 N7 O9 S | | SMILES: | O=C1N(C)CCCC1C(=O)NC5C(=O)N4CC(OC(=O)N3Cc2cccc(F)c2C3)CC4C(=O)NC7(C(=O)NS(=O)(=O)c6cc(F)ccc6NCCCCCCC5)CC7C=C | | InChi: | InChI=1S/C42H51F2N7O9S/c1-3-26-21-42(26)40(56)48-61(58,59)35-19-27(43)15-16-32(35)45-17-8-6-4-5-7-14-33(46-36(52)29-12-10-18-49(2)38(29)54)39(55)51-23-28(20-34(51)37(53)47-42)60-41(57)50-22-25-11-9-13-31(44)30(25)24-50/h3,9,11,13,15-16,19,26,28-29,33-34,45H,1,4-8,10,12,14,17-18,20-24H2,2H3,(H,46,52)(H,47,53)(H,48,56)/t26-,28-,29+,33+,34+,42-/m1/s1 | | Definition date: | 2011-11-23 | | Last modified: | 2014-09-05 | | Identifier: | (1R,2S,2'R,6'S,24a'S)-2-ethenyl-17'-fluoro-6'-({[(3S)-1-methyl-2-oxopiperidin-3-yl]carbonyl}amino)-19',19'-dioxido-5',21',24'-trioxo-1',2',3',5',6',7',8',9',10',11',12',13',14',20',21',23',24',24a'-octadecahydrospiro[cyclopropane-1,22'-pyrrolo[2,1-g][1,2,5,8,18]benzothiatetraazacycloicosin]-2'-yl 4-fluoro-1,3-dihydro-2H-isoindole-2-carboxylate |
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 | | 5PS | | Name: | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide | | Formula: | C29 H22 F2 N4 O2 | | SMILES: | Fc1cccc(c1)c2ccc(c(F)c2)C(=O)NC(C(=O)Nc3ccncc3)Cc5c4ccccc4nc5 | | InChi: | InChI=1S/C29H22F2N4O2/c30-21-5-3-4-18(14-21)19-8-9-24(25(31)15-19)28(36)35-27(29(37)34-22-10-12-32-13-11-22)16-20-17-33-26-7-2-1-6-23(20)26/h1-15,17,27,33H,16H2,(H,35,36)(H,32,34,37)/t27-/m1/s1 | | Definition date: | 2013-07-16 | | Last modified: | 2014-09-05 | | Release date: | 2014-01-22 | | Identifier: | 3,3'-difluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide |
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 | | 5TF | | Name: | (S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine | | Formula: | C17 H19 N7 | | SMILES: | n1nc4ccc(nn4c1C(c3c2cccnc2nc3)C)NC(C)C | | InChi: | InChI=1S/C17H19N7/c1-10(2)20-14-6-7-15-21-22-17(24(15)23-14)11(3)13-9-19-16-12(13)5-4-8-18-16/h4-11H,1-3H3,(H,18,19)(H,20,23)/t11-/m0/s1 | | Definition date: | 2012-11-20 | | Last modified: | 2014-09-05 | | Release date: | 2013-11-27 | | Identifier: | N-(propan-2-yl)-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine |
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 | | I2E | | Name: | 3-(1,3-benzodioxol-5-yl)propanoic acid | | Formula: | C10 H10 O4 | | SMILES: | O=C(O)CCc1ccc2OCOc2c1 | | InChi: | InChI=1S/C10H10O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1,3,5H,2,4,6H2,(H,11,12) | | Definition date: | 2012-02-07 | | Last modified: | 2014-09-05 | | Release date: | 2012-12-14 | | Identifier: | 3-(1,3-benzodioxol-5-yl)propanoic acid |
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 | | 6AO | | Name: | (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide | | Formula: | C19 H23 N3 O | | SMILES: | O=C(NC(C=[N@H])Cc1ccc(cc1)c2ccccc2)C(N)CC | | InChi: | InChI=1S/C19H23N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17-18,20H,2,12,21H2,1H3,(H,22,23)/b20-13+/t17-,18-/m0/s1 | | Definition date: | 2013-10-31 | | Last modified: | 2014-09-05 | | Release date: | 2014-03-19 | | Identifier: | (2S)-2-amino-N-[(2S,3E)-1-(biphenyl-4-yl)-3-iminopropan-2-yl]butanamide |
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 | | LVJ | | Name: | 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide | | Formula: | C27 H32 Cl2 F3 N5 O4 | | SMILES: | FC(F)(F)CNC(=O)c2cc3nc(Nc1c(Cl)c(ccc1Cl)CNC(=O)C(C)(C)C)n(c3cc2OCC(O)(C)C)C | | InChi: | InChI=1S/C27H32Cl2F3N5O4/c1-25(2,3)23(39)33-11-14-7-8-16(28)21(20(14)29)36-24-35-17-9-15(22(38)34-12-27(30,31)32)19(10-18(17)37(24)6)41-13-26(4,5)40/h7-10,40H,11-13H2,1-6H3,(H,33,39)(H,34,38)(H,35,36) | | Definition date: | 2013-05-27 | | Last modified: | 2014-09-05 | | Release date: | 2014-04-16 | | Identifier: | 2-[(2,6-dichloro-3-{[(2,2-dimethylpropanoyl)amino]methyl}phenyl)amino]-6-(2-hydroxy-2-methylpropoxy)-1-methyl-N-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxamide |
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 | | M2W | | Name: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-O-METHYL-D-THREONINE | | Formula: | C14 H25 N3 O7 S | | SMILES: | O=C(NC(C(=O)O)C(OC)C)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H25N3O7S/c1-7(24-2)11(14(22)23)17-12(19)9(6-25)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,25H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t7-,8-,9-,11+/m0/s1 | | Definition date: | 2011-02-03 | | Last modified: | 2014-09-05 | | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-O-methyl-D-threonine |
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 | | DQ6 | | Name: | (2S)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID | | Formula: | C24 H25 N O2 | | SMILES: | O=C(O)C(N)CCC(c1ccccc1)(c2ccccc2)c3cccc(c3)C | | InChi: | InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m0/s1 | | Definition date: | 2011-10-24 | | Last modified: | 2014-09-05 | | Release date: | 2012-10-26 | | Identifier: | 5-(3-methylphenyl)-5,5-diphenyl-L-norvaline |
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 | | DQ7 | | Name: | (2R)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID | | Formula: | C24 H25 N O2 | | SMILES: | O=C(O)C(N)CCC(c1ccccc1)(c2ccccc2)c3cccc(c3)C | | InChi: | InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1 | | Definition date: | 2011-10-24 | | Last modified: | 2014-09-05 | | Release date: | 2012-10-26 | | Identifier: | 5-(3-methylphenyl)-5,5-diphenyl-D-norvaline |
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 | | 39X | | Name: | 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine | | Formula: | C21 H16 F N3 O3 | | SMILES: | O=C(O)C(NC(=O)c2cc1ccccc1cc2)Cc4nc3ccc(F)cc3n4 | | InChi: | InChI=1S/C21H16FN3O3/c22-15-7-8-16-17(10-15)24-19(23-16)11-18(21(27)28)25-20(26)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,23,24)(H,25,26)(H,27,28)/t18-/m1/s1 | | Definition date: | 2014-07-14 | | Last modified: | 2014-09-05 | | Release date: | 2014-08-20 | | Identifier: | 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine |
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 | | 3DZ | | Name: | (2S)-2-[3-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid | | Formula: | C20 H27 N2 O4 P | | SMILES: | O=C(O)C(Cc1cccc(c1)CN)CP(=O)(O)C(N)CCc2ccccc2 | | InChi: | InChI=1S/C20H27N2O4P/c21-13-17-8-4-7-16(11-17)12-18(20(23)24)14-27(25,26)19(22)10-9-15-5-2-1-3-6-15/h1-8,11,18-19H,9-10,12-14,21-22H2,(H,23,24)(H,25,26)/t18-,19-/m1/s1 | | Definition date: | 2014-08-01 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | (2S)-2-[3-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid |
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 | | 3EO | | Name: | (4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide | | Formula: | C37 H46 N6 O7 S2 | | SMILES: | O=S(=O)(NC(=O)C12NC(=O)N3C(C(=O)N(C)CCCCC=CC2C1)CC3COc5cc(nc4cc(OC)ccc45)c6nc(cs6)C(C)C)C7(C)CC7 | | InChi: | InChI=1S/C37H46N6O7S2/c1-22(2)29-21-51-32(39-29)28-18-31(26-12-11-25(49-5)17-27(26)38-28)50-20-24-16-30-33(44)42(4)15-9-7-6-8-10-23-19-37(23,40-35(46)43(24)30)34(45)41-52(47,48)36(3)13-14-36/h8,10-12,17-18,21-24,30H,6-7,9,13-16,19-20H2,1-5H3,(H,40,46)(H,41,45)/b10-8-/t23-,24+,30+,37-/m1/s1 | | Definition date: | 2014-08-01 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | (4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide |
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 | | 3FO | | Name: | N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide | | Formula: | C22 H26 Cl N5 O5 S | | SMILES: | Clc1cc(ccc1)C(NS(=O)(=O)C)C(=O)NC(C(=O)NCC(=O)NCC=[N@H])Cc2ccccc2 | | InChi: | InChI=1S/C22H26ClN5O5S/c1-34(32,33)28-20(16-8-5-9-17(23)13-16)22(31)27-18(12-15-6-3-2-4-7-15)21(30)26-14-19(29)25-11-10-24/h2-10,13,18,20,24,28H,11-12,14H2,1H3,(H,25,29)(H,26,30)(H,27,31)/b24-10-/t18-,20-/m0/s1 | | Definition date: | 2014-08-11 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide |
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 | | 3I6 | | Name: | 4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESULFONAMIDE | | Formula: | C13 H16 Br N5 O3 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)Nc2nc(c(Br)cn2)NC(C)CO | | InChi: | InChI=1S/C13H16BrN5O3S/c1-8(7-20)17-12-11(14)6-16-13(19-12)18-9-2-4-10(5-3-9)23(15,21)22/h2-6,8,20H,7H2,1H3,(H2,15,21,22)(H2,16,17,18,19)/t8-/m1/s1 | | Definition date: | 2013-03-26 | | Last modified: | 2014-09-05 | | Release date: | 2013-09-04 | | Identifier: | 4-[(5-bromo-4-{[(2R)-1-hydroxypropan-2-yl]amino}pyrimidin-2-yl)amino]benzenesulfonamide |
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 | | 3JO | | Name: | N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide | | Formula: | C33 H41 N5 O5 S | | SMILES: | O=C(NC(C(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc3ccc(c2scnc2C)cc3)C(C)(C)C)Cc4ccccc4)C | | InChi: | InChI=1S/C33H41N5O5S/c1-20-28(44-19-35-20)24-13-11-23(12-14-24)17-34-31(42)27-16-25(40)18-38(27)32(43)29(33(3,4)5)37-30(41)26(36-21(2)39)15-22-9-7-6-8-10-22/h6-14,19,25-27,29,40H,15-18H2,1-5H3,(H,34,42)(H,36,39)(H,37,41)/t25-,26+,27+,29-/m1/s1 | | Definition date: | 2014-08-28 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide |
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 | | 6XP | | Name: | (2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide | | Formula: | C18 H18 Cl N3 O3 | | SMILES: | Clc1ccc(c2c1C(C(=O)N2)NNC(=O)C(c3ccc(O)cc3)C)C | | InChi: | InChI=1S/C18H18ClN3O3/c1-9-3-8-13(19)14-15(9)20-18(25)16(14)21-22-17(24)10(2)11-4-6-12(23)7-5-11/h3-8,10,16,21,23H,1-2H3,(H,20,25)(H,22,24)/t10-,16?/m0/s1 | | Definition date: | 2011-08-31 | | Last modified: | 2014-09-05 | | Identifier: | (2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide |
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 | | 6YT | | Name: | N-(3-hydroxypicolinoyl)-S-(pyridin-2-ylmethyl)-L-cysteine | | Formula: | C15 H15 N3 O4 S | | SMILES: | O=C(c1ncccc1O)NC(C(=O)O)CSCc2ncccc2 | | InChi: | InChI=1S/C15H15N3O4S/c19-12-5-3-7-17-13(12)14(20)18-11(15(21)22)9-23-8-10-4-1-2-6-16-10/h1-7,11,19H,8-9H2,(H,18,20)(H,21,22)/t11-/m0/s1 | | Definition date: | 2013-10-01 | | Last modified: | 2014-09-05 | | Release date: | 2014-05-14 | | Identifier: | N-[(3-hydroxypyridin-2-yl)carbonyl]-S-(pyridin-2-ylmethyl)-L-cysteine |
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 | | 2L7 | | Name: | 4-[(2-bromo-2-methylpropanoyl)amino]-L-phenylalanine | | Formula: | C13 H17 Br N2 O3 | | SMILES: | O=C(Nc1ccc(cc1)CC(C(=O)O)N)C(Br)(C)C | | InChi: | InChI=1S/C13H17BrN2O3/c1-13(2,14)12(19)16-9-5-3-8(4-6-9)7-10(15)11(17)18/h3-6,10H,7,15H2,1-2H3,(H,16,19)(H,17,18)/t10-/m0/s1 | | Definition date: | 2014-04-15 | | Last modified: | 2014-09-05 | | Release date: | 2014-07-23 | | Identifier: | 4-[(2-bromo-2-methylpropanoyl)amino]-L-phenylalanine |
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 | | 2LQ | | Name: | 4-{[(1R,4E)-cyclooct-4-en-1-ylcarbonyl]amino}-L-phenylalanine | | Formula: | C18 H24 N2 O3 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)NC(=O)C2CCC=CCCC2 | | InChi: | InChI=1S/C18H24N2O3/c19-16(18(22)23)12-13-8-10-15(11-9-13)20-17(21)14-6-4-2-1-3-5-7-14/h1-2,8-11,14,16H,3-7,12,19H2,(H,20,21)(H,22,23)/b2-1+/t14-,16-/m0/s1 | | Definition date: | 2014-04-15 | | Last modified: | 2014-09-05 | | Release date: | 2014-07-23 | | Identifier: | 4-{[(1R,4E)-cyclooct-4-en-1-ylcarbonyl]amino}-L-phenylalanine |
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 | | 2UD | | Name: | 3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid | | Formula: | C11 H8 Br N O2 S | | SMILES: | O=C(O)C(=S)Cc2c1cc(Br)ccc1nc2 | | InChi: | InChI=1S/C11H8BrNO2S/c12-7-1-2-9-8(4-7)6(5-13-9)3-10(16)11(14)15/h1-2,4-5,13H,3H2,(H,14,15) | | Definition date: | 2014-05-07 | | Last modified: | 2014-09-05 | | Release date: | 2014-08-13 | | Identifier: | 3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid |
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 | | 2UH | | Name: | N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate) | | Formula: | C16 H26 N6 O12 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(NCCCNC(=O)CC)NC1=O)C(O)C3O | | InChi: | InChI=1S/C16H26N6O12P2/c1-2-9(23)17-4-3-5-18-16-20-13-10(14(26)21-16)19-7-22(13)15-12(25)11(24)8(33-15)6-32-36(30,31)34-35(27,28)29/h7-8,11-12,15,24-25H,2-6H2,1H3,(H,17,23)(H,30,31)(H2,27,28,29)(H2,18,20,21,26)/t8-,11-,12-,15-/m1/s1 | | Definition date: | 2014-05-08 | | Last modified: | 2014-09-05 | | Release date: | 2014-05-28 | | Identifier: | N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate) |
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 | | 2UJ | | Name: | N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate) | | Formula: | C16 H27 N6 O15 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n1cnc2c1NC(=NC2=O)NCCCNC(=O)CC)C(O)C3O | | InChi: | InChI=1S/C16H27N6O15P3/c1-2-9(23)17-4-3-5-18-16-20-13-10(14(26)21-16)19-7-22(13)15-12(25)11(24)8(35-15)6-34-39(30,31)37-40(32,33)36-38(27,28)29/h7-8,11-12,15,24-25H,2-6H2,1H3,(H,17,23)(H,30,31)(H,32,33)(H2,27,28,29)(H2,18,20,21,26)/t8-,11-,12-,15-/m1/s1 | | Definition date: | 2014-05-08 | | Last modified: | 2014-09-05 | | Release date: | 2014-05-28 | | Identifier: | N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate) |
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 | | 2UK | | Name: | 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine | | Formula: | C16 H28 N7 O14 P3 | | SMILES: | O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n1cnc2c1NC(=NC2=O)NCCCNC(=O)CC)C(O)C3O | | InChi: | InChI=1S/C16H28N7O14P3/c1-2-9(24)17-4-3-5-18-16-20-13-10(14(27)21-16)19-7-23(13)15-12(26)11(25)8(36-15)6-35-40(33,34)37-39(31,32)22-38(28,29)30/h7-8,11-12,15,25-26H,2-6H2,1H3,(H,17,24)(H,33,34)(H2,18,20,21,27)(H4,22,28,29,30,31,32)/t8-,11-,12-,15-/m1/s1 | | Definition date: | 2014-05-08 | | Last modified: | 2014-09-05 | | Release date: | 2014-05-28 | | Identifier: | 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine |
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 | | P18 | | Name: | 3-hydroxy-1-phenylpropan-1-one | | Formula: | C9 H10 O2 | | SMILES: | O=C(c1ccccc1)CCO | | InChi: | InChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2 | | Definition date: | 2012-08-02 | | Last modified: | 2014-09-05 | | Release date: | 2013-01-11 | | Identifier: | 3-hydroxy-1-phenylpropan-1-one |
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 | | P2F | | Name: | 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide | | Formula: | C38 H52 N4 O6 S | | SMILES: | O=S4(=O)N(c3cc(C(=O)NC(Cc1ccccc1)C(O)CNC(c2cccc(OC)c2)(C)C)cc(C(=O)N(CCC)CCC)c3)CCCC4 | | InChi: | InChI=1S/C38H52N4O6S/c1-6-18-41(19-7-2)37(45)30-23-29(24-32(25-30)42-20-11-12-21-49(42,46)47)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)48-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1 | | Definition date: | 2014-01-08 | | Last modified: | 2014-09-05 | | Release date: | 2014-06-18 | | Identifier: | 5-(1,1-dioxido-1,2-thiazinan-2-yl)-N'-[(2S,3R)-3-hydroxy-4-{[2-(3-methoxyphenyl)propan-2-yl]amino}-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide |
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